@MOLECULE (1S,2S)-1-[(R)-butylsulfinyl]-2-methyl-cyclobutane 29 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.1284 -0.1147 -0.0911 C.3 1 UNL111 -0.4426 2 C 3.7674 -0.6643 -0.5173 C.3 1 UNL111 -0.2509 3 C 2.6334 0.0942 0.1914 C.3 1 UNL111 -0.2494 4 C 1.2769 -0.4555 -0.2368 C.3 1 UNL111 -0.4950 5 S -0.0743 0.4932 0.5870 S.O 1 UNL111 1.0487 6 O 0.0469 1.8894 0.0972 O.2 1 UNL111 -0.7903 7 C -1.4669 -0.2410 -0.3517 C.3 1 UNL111 -0.3664 8 H -1.3308 -0.0791 -1.4319 H 1 UNL111 0.1620 9 C -2.8729 0.2157 0.1429 C.3 1 UNL111 -0.0575 10 H -2.8518 0.8466 1.0505 H 1 UNL111 0.1427 11 C -3.7242 0.8695 -0.9268 C.3 1 UNL111 -0.4568 12 C -3.2294 -1.2689 0.4585 C.3 1 UNL111 -0.2955 13 C -1.8063 -1.7038 0.0182 C.3 1 UNL111 -0.2708 14 H 5.2851 -0.2208 0.9879 H 1 UNL111 0.1407 15 H 5.9464 -0.6401 -0.5959 H 1 UNL111 0.1407 16 H 5.2231 0.9505 -0.3342 H 1 UNL111 0.1484 17 H 3.6527 -0.5780 -1.6145 H 1 UNL111 0.1361 18 H 3.7053 -1.7439 -0.2884 H 1 UNL111 0.1292 19 H 2.7704 0.0209 1.2875 H 1 UNL111 0.1377 20 H 2.7080 1.1772 -0.0509 H 1 UNL111 0.1610 21 H 1.1784 -0.3980 -1.3344 H 1 UNL111 0.1609 22 H 1.1760 -1.5183 0.0339 H 1 UNL111 0.1542 23 H -3.8005 0.2535 -1.8300 H 1 UNL111 0.1465 24 H -4.7431 1.0554 -0.5674 H 1 UNL111 0.1464 25 H -3.2992 1.8385 -1.2269 H 1 UNL111 0.1618 26 H -3.4637 -1.4646 1.5063 H 1 UNL111 0.1374 27 H -4.0369 -1.6797 -0.1510 H 1 UNL111 0.1416 28 H -1.7896 -2.3933 -0.8318 H 1 UNL111 0.1407 29 H -1.2133 -2.1540 0.8191 H 1 UNL111 0.1385 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 2 6 5 7 1 7 7 8 1 8 7 9 1 9 9 10 1 10 9 11 1 11 9 12 1 12 12 13 1 13 7 13 1 14 1 14 1 15 1 15 1 16 1 16 1 17 2 17 1 18 2 18 1 19 3 19 1 20 3 20 1 21 4 21 1 22 4 22 1 23 11 23 1 24 11 24 1 25 11 25 1 26 12 26 1 27 12 27 1 28 13 28 1 29 13 29 1